SCHEMBL9909217

SCHEMBL9909217

COC(=O)c1cc(F)c2nccc(OS(=O)(=O)C(F)(F)F)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
KDM6B O15054 1/20 0.38
KDM5C P41229 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
KDM2A Q9Y2K7 1/20 0.38
KDM3A Q9Y4C1 1/20 0.38
NOTUM Q6P988 2/20 0.37
POLB P06746 2/20 0.34
SLC40A1 Q9NP59 2/20 0.34
DYRK1A Q13627 1/20 0.34
MET P08581 1/20 0.34
AXL P30530 1/20 0.34
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
ALOX15 P16050 1/20 0.33
ALPL P05186 2/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9909214 0.89 NOTUM (0.39) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL9909204 0.88 KDM4E (0.40) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL9909234 0.88 NOTUM (0.39) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL9909152 0.81 HTT (0.46) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL2919011 0.81 HTR1A (0.36) SLC40A1AXLLMNA
SCHEMBL5259957 0.80 CDK8 (0.38) SLC40A1
SCHEMBL9907453 0.76 KDM4E (0.42) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL9907440 0.76 KDM4E (0.47) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL6134609 0.76 NOTUM (0.50) KDM4ENOTUMALDH1A1L3MBTL1CYP1A2
SCHEMBL16502686 0.76 NOTUM (0.45) KDM4ENOTUMALPLCYP2C9LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853242-B2 Nitrogenous-ring acylguanidine derivative ASTELLAS PHARMA INC. (JP) 2014-10-07 US disclosed
US-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E KDM4E 1474/4885KDM6B 1843/4885KDM5C 323/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.